Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.35 |
| ▸ | ACHE | P22303 | 3/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.34 |
| ▸ | MAOB | P27338 | 1/20 | 0.34 |
| ▸ | CA7 | P43166 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | HCRTR2 | O43614 | 3/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL17084066 | 1.00 | ALDH1A1 (0.38) | ALDH1A1KDM4ETAAR1CHRNA7ACHE | |
| SCHEMBL17084079 | 1.00 | ALDH1A1 (0.38) | ALDH1A1KDM4ETAAR1CHRNA7ACHE | |
| SCHEMBL15445213 | 0.82 | AOC3 (0.43) | ALDH1A1TAAR1MAOAMAOBKMT2A | |
| SCHEMBL25704721 | 0.82 | AOC3 (0.43) | ALDH1A1TAAR1MAOAMAOBKMT2A | |
| SCHEMBL17084072 | 0.82 | AOC3 (0.43) | ALDH1A1TAAR1MAOAMAOBKMT2A | |
| SCHEMBL11991408 | 0.81 | TAAR1 (0.57) | ALDH1A1TAAR1PKMCYP2D6 | |
| SCHEMBL14254207 | 0.81 | TAAR1 (0.57) | ALDH1A1TAAR1PKMCYP2D6 | |
| SCHEMBL9908243 | 0.81 | TAAR1 (0.57) | ALDH1A1TAAR1PKMCYP2D6 | |
| SCHEMBL23774419 | 0.78 | ACHE (0.46) | ALDH1A1KDM4ECHRNA7ACHEHCRTR2 | |
| SCHEMBL19121627 | 0.78 | ACHE (0.46) | ALDH1A1KDM4ECHRNA7ACHEHCRTR2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170320882-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-11-09 | — | — | US | disclosed |
| US-9745307-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-08-29 | — | — | US | disclosed |
| US-20160068532-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-03-10 | — | — | US | disclosed |
| US-9233979-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-12 | — | — | US | disclosed |
| US-9226922-B2 | Compounds that are ERK inhibitors | MERCK SHARP & DOHME CORP. (US) | 2016-01-05 | — | — | US | disclosed |
| US-20150266895-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-24 | — | — | US | disclosed |
| US-20150258074-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2015-09-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20150266895-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAPK10, MAP3K1 | ALDH1A1 545/4885KDM4E 3001/4885TAAR1 3564/4885 |
| US-20170320882-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAPK4, MAPK10 | ALDH1A1 560/4885KDM4E 3039/4885TAAR1 3623/4885 |
| US-20160068532-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAP3K20, MAPK6 | ALDH1A1 809/4885KDM4E 2912/4885TAAR1 3527/4885 |
| US-20150258074-A1 | NOVEL COMPOUNDS THAT ARE ERK INHIBITORS | MAPK1, MAPK4, MAP3K20 | ALDH1A1 358/4885KDM4E 2166/4885TAAR1 3007/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.